共查询到20条相似文献,搜索用时 15 毫秒
1.
Fernando Castaeda Clifford A. Bunton Ricardo Baggio María Teresa Garland 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(1):o65-o67
Crystalline cyano‐stabilized triphenylphosphonium ylids with keto or ester groups give rise to an extended electronic delocalization. In methyl 2‐cyano‐2‐(trimethylphosphonio)ethenoate, Ph3P=C(CN)CO2CH3 or C22H18NO2P, (I), and 1‐cyano‐1‐(trimethylphosphonio)prop‐1‐en‐2‐olate, Ph3P=C(CN)CO—CH3 or C22H18NOP, (II), the carbonyl groups are oriented toward the cationoid P atom. Bond lengths and angles, torsion angles and P⋯O contact distances are consistent with a dominant coplanar conformation where the molecular structures are the result of a balance between intra‐ and intermolecular interactions. The main interactions presented by cyano‐ester (I) and cyano‐keto (II) are intramolecular interactions between the carbonyl O and the P atoms. In addition, both compounds show other less important intramolecular interactions between the carbonyl O and phenyl H atoms, which could contribute to form a preferred conformation in the crystal structure. 相似文献
2.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(11):o641-o643
Two chemical isomers of 3‐nitrobenzotrifluoride, namely 1‐(4‐chlorophenylsulfanyl)‐2‐nitro‐4‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (I), and 1‐(4‐chlorophenylsulfanyl)‐4‐nitro‐2‐(trifluoromethyl)benzene, C13H7ClF3NO2S, (II), have been prepared and their crystal structures determined with the specific purpose of forming a cocrystal of the two. The two compounds display a similar conformation, with dihedral angles between the benzene rings of 83.1 (1) and 76.2 (1)°, respectively, but (I) packs in P while (II) packs in P21/c, with C—H⋯O interactions. No cocrystal could be formed, and it is suggested that the C—H⋯O associations in (II) prevent intermolecular mixing and promote phase separation. 相似文献
3.
Ning‐Hai Hu Heng‐Qing Jia Jing‐Wei Xu Katsuyuki Aoki 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(7):o457-o459
The title compound, 3‐[(4‐amino‐2‐methylpyrimidin‐5‐yl)methyl]‐5‐(2‐hydroxyethyl)‐4‐methylthiazolium tetraphenylborate monohydrate, C12H17N4OS+·C24H20B−·H2O, is a salt in which the thiamine cations are linked by hydrogen bonds into a two‐dimensional network having (4,4)‐topology. The stacked sheets form channels, which are occupied by the anions; the cations and anions are linked by C—H⋯π(arene) hydrogen bonds. 相似文献
4.
Daniel E. Lynch Ian McClenaghan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o1-o5
The crystal structures of four trifluoromethylnitrobenzene analogues (CF3)C6H3(NO2)[C4H8N2]R (where C4H8N2 is piperazinyl and R is ethyl carboxylate, CO2C2H5, or phenyl, C6H5), have been determined, and their conformations and packing arrangements are compared. The four compounds are ethyl 4‐[4‐nitro‐2‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (I), and ethyl 4‐[2‐nitro‐4‐(trifluoromethyl)phenyl]piperazine‐1‐carboxylate, (II), both C14H16F3N3O4, and 1‐[4‐nitro‐2‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (III), and 1‐[2‐nitro‐4‐(trifluoromethyl)phenyl]‐4‐phenylpiperazine, (IV), both C17H16F3N3O2. All molecules adopt a rod‐like conformation, while the asymmetric units of (II) and (IV) contain two unique molecules that pack as monodirectional pairs. All molecules pack with C—H⋯O/F close contacts to all but one of the O atoms and to five of the 18 F atoms. 相似文献
5.
Khalid A. Al‐Farhan 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):o531-o532
In the title compound, C18H15OP·C11H8O2, co‐crystallization of triphenylphosphine oxide with 1‐naphthoic acid yields a supramolecular structure held together by one O—H⋯O and three C—H⋯O hydrogen bonds. The O—H⋯O hydrogen bond [O⋯O = 2.592 (2) Å] has little effect on the O=P bond distance. 相似文献
6.
Thomas Steiner 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):1033-1034
In the crystalline 1:1 molecular complex of triphenylmethanol (TPMeOH) and triphenylphosphine oxide (TPPO), C19H16O·C18H15OP, molecular dimers are formed which are linked by O—H?O=P hydrogen bonds. The dimers are aligned by sixfold phenyl embraces to form columns. The structure is disordered with half a dimer per asymmetric crystal unit, i.e. with only one molecular site which is half‐occupied by both TPMeOH and TPPO. 相似文献
7.
Fangfang Jian Fengli Bei Lude Lu Xujie Yang Xin Wang Ibrahim Abdul Razak S. Shanmuga Sundara Raj Hoong‐Kun Fun 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(7):e288-e289
In the title compound, [Cu(C5H10NO2S2)(C18H15P)2]·C18H15P, the Cu atom is in a distorted tetrahedral coordination, with two triphenylphosphine P atoms and two S atoms from an N,N‐bis(2‐hydroxyethyl)dithiocarbamate ligand occupying the vertices. The crystal structure is characterized by alternate layers of complex and triphenylphosphine molecules. 相似文献
8.
Maren Pink Doyle Britton Wayland E. Noland Matthew J. Pinnow 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1271-1273
The molecular structures of the title compounds, 2,4,6‐trichlorophenylisonitrile (IUPAC name: 2,4,6‐trichlorophenyl isocyanide), C7H2Cl3N, and 2,4,6‐trichlorobenzonitrile, C7H2Cl3N, are normal. The two structures are not isomorphous, but do contain similar two‐dimensional layers in which pairs of molecules are held together by pairs of Cl?CN [3.245 (3) Å] or Cl?NC [3.153 (2) Å] interactions. The two‐dimensional isomorphism is lost through different layer‐stacking modes. 相似文献
9.
Seik Weng Ng A. David Rae 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):e47-e48
All three independent molecules in the triclinic modification of (O‐isopropyl dithiocarbonato‐S)triphenyltin, [Sn(C6H5)3(C4H7OS2)], show tetrahedral coordination at their Sn atoms. Bond dimensions involving the Sn atoms are similar to those found in the monoclinic modification of the same compound. Two of the independent molecules are related by a pseudo‐translation allowing a stacking fault that reduces the intensities of h + k odd reflections. 相似文献
10.
S. Athimoolam S. Natarajan 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(10):o612-o617
In the title compounds, C7H8NO2+·NO3−, (I), C7H8NO2+·ClO4−·H2O, (II), and 2C7H8NO2+·SO42−, (III), the carboxyl planes of the 4‐carboxyphenylammonium cations are twisted from the aromatic plane. A homonuclear C(8) hydrogen‐bonding motif of 4‐carboxyphenylammonium cations is observed in both (I) and (II), leading to `head‐to‐tail' layers. The cations in (III) form carboxyl group dimers, making a graph‐set motif of R22(8). In all the structures, anions connect the cationic layers and an infinite chain running along the c axis is observed, having the C22(6) graph‐set motif. Interestingly, in (II), the anions are connected through weak hydrogen bonds involving the water molecules, leading to a graph‐set motif of R44(12). Alternate hydrophobic and hydrophilic layers are observed in all three compounds as a result of the column‐like arrangement of the aromatic rings of the cations and the anions. Furthermore, in (I), head‐to‐tail N—H⋯O interactions and interactions linking the cations and anions form an R64(16) hydrogen‐bonding motif, resulting in a pseudo‐inversion centre at (, , 0). 相似文献
11.
Erich Dubler Helmut W. Schmalle Frdric Arod Alain Schneider 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(2):m111-m115
The syntheses and structures of two mixed‐ligand complexes of platinum(II) with deprotonated oxopurine bases and triphenylphosphine are reported, namely the theophyllinate complex cis‐bis(1,2,3,6‐tetrahydro‐1,3‐dimethylpurine‐2,6‐dionato‐κN7)bis(triphenylphosphine‐κP)platinum(II), [Pt(C7H7N4O2)2(C18H15P)2], (I), and the theobrominate complex cis‐chloro(1,2,3,6‐tetrahydro‐3,7‐dimethylpurine‐2,6‐dionato‐κN1)bis(triphenylphosphine‐κP)platinum(II) ethanol hemisolvate, [PtCl(C7H7N4O2)(C18H15P)2]·0.5C2H5OH, (II). In (I), the coordination geometry of Pt is square planar, formed by the two coordinating N atoms of the theophyllinate anions in a cis arrangement and two P atoms from the triphenylphosphine groups. In (II), there are two crystallographically independent molecules. They both exhibit a square‐planar coordination geometry around Pt involving one Cl atom, the coordinating N atom of the theobrominate anion and two P atoms from the triphenylphosphine groups. The two triphenylphosphine groups are arranged in a cis configuration in both structures. The heterocyclic rings are rotated with respect to the coordination plane of the metal by 82.99 (8) and 88.09 (8)° in complex (I), and by 85.91 (16) and 88.14 (18)° in complex (II). Both structures are stabilized by intramolecular stacking interactions involving the purine rings and the phenyl rings of adjacent triphenylphosphine moieties. 相似文献
12.
Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(3):e86-e87
The Sn atom in catena‐poly[triphenyltin(IV)‐μ‐(3‐ureidopropionato‐O1:O3)], [Sn(C6H5)3(C4H7N2O3)]n, is five‐coordinate and has a trans‐C3SnO2 trigonal‐bipyrmidal geometry arising from bridging through the O atom of the ureido fragment of an adjacent carboxylate group. Infinite chains propagate helically along the c axis and adjacent chains are linked by N—H?O [N?O 2.851 (4) Å] hydrogen bonds into layers. 相似文献
13.
David G. Billing Andreas Lemmerer Melanie Rademeyer 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(3):m101-m104
The crystal structures of the two isomers bis(1‐phenylethylammonium) hexachloridostannate(IV) and bis(2‐phenylethylammonium) hexachloridostannate(IV), both (C8H12N)2[SnCl6], exhibit alternating organic and inorganic layers, which interact via N—H⋯Cl hydrogen bonding. The inorganic layer contains an extended two‐dimensional hydrogen‐bonded sheet. The Sn atom in the 1‐phenylethylammonium salt lies on an inversion centre. 相似文献
14.
Stuart R. Batten Alexander R. Harris Keith S. Murray 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(11):1394-1395
The title compound, C24H20P+·ClO4?, undergoes a sudden reversible phase change in the region of 173–180 K which involves ordering of three quarters of the perchlorate anions. 相似文献
15.
Honoh Suzuki Yuriko Abe Shin‐ichi Ishiguro 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(6):721-722
The title compound, dibromobis[tris(dimethylamino)phosphine oxide]cobalt(II), [CoBr2(C6H18N3OP)2], displays tetrahedral coordination about cobalt. The molecule has twofold crystallographic site symmetry. The short P—N bonds and the planarity of the dimethylamino groups indicate the importance of dπ–pπ interactions. One of the NMe2 groups has an irregular conformation about the P—N bond and deviates from planarity. It is ascribed to the steric hindrance induced by coordination at the O atom of hexamethylphosphoric triamide. 相似文献
16.
Lee J. Higham P. Gabriel Kelly Helge Müller‐Bunz Declan G. Gilheany 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(5):o308-o311
The Ramirez ylide undergoes electrophilic substitution with dialkyl acetylenedicarboxylates, yielding a mixture of the Z and E adducts. The crystal structure analyses of the two adducts formed using dimethylacetylene, viz. dimethyl (E)‐ and (Z)‐1‐[2‐(triphenylphosphoranylidene)cyclopentadien‐1‐yl]ethylenedicarboxylate, both C29H25O4P, explain an unusual chemical shift observed for the vinyl H atom of the Z adduct, which had previously precluded a definitive assignment of the isomers. In addition, the structures explain why only one of the isomers reacts further with acetylene esters to produce azulenes with a rare substitution pattern. 相似文献
17.
Masood Parvez Kristin Braitenbach 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):1216-1217
The structure of {3‐[(4‐fluorophenyl)methyl]‐1H‐benzimidazol‐2‐ylidene}{1‐[2‐(4‐methoxyphenyl)ethyl]‐4‐piperidin‐1‐io}ammonium tetrachlorocuprate(II), (C28H33FN4O)[CuCl4], contains diprotonated cations of astemizole hydrogen bonded to three Cl atoms in two different CuCl42? anions, with Cl?N distances in the range 3.166 (4)–3.203 (4) Å. The geometry around copper is flattened tetrahedral with significantly different Cu—Cl distances which lie in the range 2.1968 (14)–2.2861 (12) Å. The phenylethyl C atoms of the (4‐methoxyphenyl)ethyl group are disordered indicating the presence of two conformers in the crystals. 相似文献
18.
Diego Venegas‐Yazigi A. B. P. Lever Alan J. Lough Andrs Vega Vernica Paredes‐García Ramn Latorre Juan Costamagna 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(8):e323-e324
The Ru atom in the title compound, [Ru(C6H5CN)2{P(C6H5)3}{C6H4(NH)2}(H2O)](BF4)2·H2O, has six‐coordinate octahedral geometry, with a trans arrangement of the triphenylphosphine ligand and the water molecule. The asymmetric unit contains one complex cation, two tetrafluoroborate anions and one solvent water molecule, which is disordered over two sites (ratio of occupancies 0.70:0.30). 相似文献
19.
Valiollah Mirkhani Reza Kia Sybolt Harkema 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m343-m344
The 1:1 adduct of N,N′‐bis(diphenylmethylene)ethylenediamine (bz2en) with copper(I) chloride, viz. [Cu(C28H24N2)2][CuCl2], has been synthesized. The structure contains cationic moieties of CuI ions (Cu on a twofold axis) coordinated to four N atoms of two bz2en molecules (in a distorted tetrahedron) and linear dichlorocuprate(I) anions (with Cu on an inversion centre). These cations and anions are packed in columns along b. The packing of the cation and anion columns involves a significant C—H⋯Cl interaction and four short intermolecular C—H⋯π contacts, two of which are between cation columns. 相似文献
20.
Robert J. Baker Helga Bettentrup Cameron Jones 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(9):m339-m341
Tetra‐tert‐butyltetraphosphacubane, P4C4tBu4, reacts with water in the presence of `GaI' to yield two products, namely 4,6,7,8‐tetra‐tert‐butyl‐1,2,3‐triphospha‐5‐phosphoniatetracyclo[3.2.1.02,4.03,8]oct‐6‐ene tetraiodogallate(III), (C20H37P4)[GaI4], and triiodo(3,5,7,8‐tetra‐tert‐butyl‐1,2,4λ5,6‐tetraphosphatetracyclo[4.1.1.02,5.07,8]octan‐4‐one)gallium(III), [GaI3(C20H38OP4)], both of which have been structurally characterized. The X‐ray crystal structure determination of the former compound shows it to be an ion‐separated salt, while the latter compound is a neutral phosphinite complex of GaI3. 相似文献